DeepPySR -- A Symbolic Regression Framework with Dynamic Pruning, Pareto Selection, and Hierarchical Composition for Real-World Scientific Discovery
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Abstract (arXiv)
Symbolic regression (SR) discovers analytical equations from data, yielding glass-box models with directly interpretable formulas, unlike black-box methods that rely on unstable post-hoc tools such as SHAP or LIME. This transparency is crucial in clinical medicine and social science, but SR faces three challenges: high-dimensional inputs, principled selection of Pareto-front formulae, and data irregularities such as multicollinearity and class imbalance. We introduce DeepPySR, which addresses these issues with a dynamic variable-pruning schedule to remove irrelevant features during search, an exponential Pareto selection criterion that eliminates trade-offs between accuracy and complexity, and a multi-layer architecture for hierarchical symbolic composition. On four Feynman physics benchmarks and seven biomedical and social-science datasets, DeepPySR outperforms PySR and baselines on body fat (R2: 0.794 vs. 0.702), heart disease (F1: 0.898 vs. 0.787), student performance (R2: 0.964 vs. 0.948), and Raine BMI (R2: 0.525 vs. 0.370), producing interpretable formulas aligned with domain risk factors.
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References · 9
- 2017A Unified Approach to Interpreting Model Predictionscited by 6,488
- 2016XGBoost: A Scalable Tree Boosting Systemcited by 5,120
- 2016"Why Should I Trust You?": Explaining the Predictions of Any Classifiercited by 5,040
- 2024KAN: Kolmogorov-Arnold Networkscited by 634
- 2019AI Feynman: a Physics-Inspired Method for Symbolic Regressioncited by 536
- 2019Fooling LIME and SHAP: Adversarial Attacks on Post hoc Explanation Methodscited by 440
- 2018On the Robustness of Interpretability Methodscited by 310
- 2019Integration of Neural Network-Based Symbolic Regression in Deep Learning for Scientific Discoverycited by 93
- 2017Interpretable Policies for Reinforcement Learning by Genetic Programmingcited by 47
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